2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide

C16H16IN3O3 — CID 76889487

IUPAC2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide
SMILESCOc1ccc(C(N)=NOCC(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C16H16IN3O3/c1-22-14-8-2-11(3-9-14)16(18)20-23-10-15(21)19-13-6-4-12(17)5-7-13/h2-9H,10H2,1H3,(H2,18,20)(H,19,21)
InChIKeyIBNNCVXYTSPMJL-UHFFFAOYSA-N
MW425.23 g/mol
LogP2.58
Rot. Bonds6

About 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide

2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide (PubChem CID 76889487) has the molecular formula C16H16IN3O3 and a molecular weight of 425.23 g/mol. Its IUPAC name is 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide
PubChem CID76889487
Molecular FormulaC16H16IN3O3
Molecular Weight425.23 g/mol
Exact Mass425.02
IUPAC Name2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide
SMILESCOc1ccc(C(N)=NOCC(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C16H16IN3O3/c1-22-14-8-2-11(3-9-14)16(18)20-23-10-15(21)19-13-6-4-12(17)5-7-13/h2-9H,10H2,1H3,(H2,18,20)(H,19,21)
InChIKeyIBNNCVXYTSPMJL-UHFFFAOYSA-N
XLogP2.58
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.23
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 84569328
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 4-iodobenzoate
CID 5349115
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide
CID 18228701
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide
CID 7613199
butyl 4-[[2-[[amino(phenyl)methylidene]amino]oxyacetyl]amino]benzoate
CID 74267716
N-(1-adamantyl)-2-[[amino-(4-methoxyphenyl)methylidene]amino]oxyacetamide
CID 75136185
methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 71822939
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide
CID 61277576
3-(4-iodoanilino)-1-(4-methoxyphenyl)but-3-en-1-one
CID 2290920
(3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide
CID 16762435
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7613256
methyl 4-[(E)-[2-(4-iodoanilino)-2-oxoethoxy]iminomethyl]benzoate
CID 6909542

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide (CID 76889487) is 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide is COc1ccc(C(N)=NOCC(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide?
The InChIKey is IBNNCVXYTSPMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16IN3O3/c1-22-14-8-2-11(3-9-14)16(18)20-23-10-15(21)19-13-6-4-12(17)5-7-13/h2-9H,10H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide?
2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide has a molecular weight of 425.23 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 76889487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).